Geometry & MOs

Info

ID:	41649
PubChem CID:	8146696
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	370.03169
ΔH_f, kcal/mol:	-20.17
Dipole, Da:	4.31
IP(EA), eV:	-8.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromoquinazolin-4-yl)oxy-1-(2,5-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CO1)NCC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

DOS

IR

Vibrations